SCHEMBL6875940

SCHEMBL6875940

COc1ncc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)c4c3c2)cn1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.84
PIK3CA P42336 3/20 0.66
PIK3CD O00329 2/20 0.66
PIK3CG P48736 2/20 0.66
PIK3C3 Q8NEB9 2/20 0.66
CSNK2A2 P19784 1/20 0.66
FECH P22830 1/20 0.66
PIK3CB P42338 1/20 0.66
CLK1 P49759 1/20 0.66
GSK3A P49840 1/20 0.66
DYRK1A Q13627 1/20 0.66
MELK Q14680 1/20 0.66
MYLK3 Q32MK0 1/20 0.66
PIP4K2C Q8TBX8 1/20 0.66
TP53RK Q96S44 1/20 0.66
RPTOR Q8N122 2/20 0.63
MLST8 Q9BVC4 2/20 0.63
PIK3C2A O00443 1/20 0.60
PIK3C2B O00750 1/20 0.60
PIK3R1 P27986 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6874822 0.92 MTOR (0.83) MTORPIK3CAPIK3CDPIK3CGPIK3C3
SCHEMBL6875573 0.92 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CGPIK3C3
SCHEMBL11885750 0.91 MTOR (0.81) MTORPIK3CAPIK3CDPIK3CGPIK3C3
SCHEMBL6874948 0.91 MTOR (0.90) MTORPIK3CAPIK3CDPIK3CGPIK3C3
SCHEMBL7918798 0.90 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CGPIK3C3
SCHEMBL7920533 0.90 MTOR (0.81) MTORPIK3CAPIK3CDPIK3CGPIK3C3
SCHEMBL6877149 0.89 MTOR (0.80) MTORPIK3CAPIK3CDPIK3CGPIK3C3
SCHEMBL11885734 0.89 MTOR (0.80) MTORPIK3CAPIK3CDPIK3CGPIK3C3
SCHEMBL11885738 0.89 MTOR (0.84) MTORPIK3CAPIK3CDPIK3CGPIK3C3
SCHEMBL7920493 0.88 MTOR (0.81) MTORPIK3CAPIK3CDPIK3CGPIK3C3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180185374-A1 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2018-07-05 US disclosed
US-8889706-B2 Soluble mTOR complexes and modulators thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-11-18 US disclosed
US-20140018354-A9 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS KADMON CORPORATION, LLC 2014-01-16 US disclosed
US-20130072485-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-03-21 US disclosed
US-8394818-B2 Soluble mTOR complexes and modulators thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-03-12 US disclosed
US-20120190676-A1 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS MOORMAN NATHANIEL (US) 2012-07-26 US disclosed
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2011-11-24 US disclosed
WO-2011011716-A1 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2011-01-27 WO disclosed
WO-2010044885-A2 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2010-04-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120190676-A1 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS EIF2AK2, MTOR, EIF4EBP1 MTOR 2/4885PIK3CA 501/4885PIK3CD 459/4885
US-20130072485-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR MTOR 1/4885PIK3CA 36/4885PIK3CD 24/4885
US-20180185374-A1 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS EIF2AK2, MTOR, EIF4EBP1 MTOR 2/4885PIK3CA 501/4885PIK3CD 459/4885
US-20140018354-A9 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS EIF2AK2, MTOR, EIF4EBP1 MTOR 2/4885PIK3CA 501/4885PIK3CD 459/4885
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR MTOR 1/4885PIK3CA 36/4885PIK3CD 24/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.